Compounds

Type:
Unknown

AlogP:
4.66

Polar Surface Area:
75.21

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA5090828

Name:
7-((2-methoxyethoxy)methyl)-1,3-dimethyl-8-(methylsulfonyl)-1H-purine-2,6(3Show More⌵

Mol. Formula:
C12H18N4O6S

M.W.:
346.37

38 activity values

14 unique targets

Type:
Unknown

AlogP:
-1.54

Polar Surface Area:
114.42

HBA:
10

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA5086911

Name:
(S)-2-((4-isopropylphenyl)(methoxy)methyl)-1H-benzo[d]imidazole-6-carboxyliShow More⌵

Mol. Formula:
C19H20N2O3

M.W.:
324.38

3 activity values

Type:
Unknown

AlogP:
4.12

Polar Surface Area:
75.21

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA5077278

Name:
(3,5-dimethyl-1H-indol-2-yl)(phenyl)methanol

Mol. Formula:
C17H17NO

M.W.:
251.33

Type:
Unknown

AlogP:
3.87

Polar Surface Area:
36.02

HBA:
1

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA5074808

Name:
(S)-2-(methoxy(naphthalen-2-yl)methyl)-1H-benzo[d]imidazole-6-carboxylic acShow More⌵

Mol. Formula:
C20H16N2O3

M.W.:
332.36

Type:
Unknown

AlogP:
4.15

Polar Surface Area:
75.21

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA5072948

Name:
(S)-(1H-benzo[d]imidazol-2-yl)(p-tolyl)methanol

Mol. Formula:
C15H14N2O

M.W.:
238.29

Type:
Unknown

AlogP:
2.95

Polar Surface Area:
48.91

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
Y

QED Weighted:
0.72

DETAILS

ALA5072338

Name:
(S)-2-(methoxy(p-tolyl)methyl)-1H-benzo[d]imidazole

Mol. Formula:
C16H16N2O

M.W.:
252.32

Type:
Unknown

AlogP:
3.61

Polar Surface Area:
37.91

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.77

DETAILS

ALA5070147

Name:
(S)-(1H-benzo[d]imidazol-2-yl)(4-isopropylphenyl)methanol

Mol. Formula:
C17H18N2O

M.W.:
266.34

Type:
Unknown

AlogP:
3.77

Polar Surface Area:
48.91

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

Necrosulfonamide

Name:
(E)-N-(4-(N-(3-methoxypyrazin-2-yl)sulfamoyl)phenyl)-3-(5-nitrothiophen-2-yShow More⌵

Mol. Formula:
C18H15N5O6S2

M.W.:
461.48

3 activity values

Type:
Small molecule

AlogP:
2.91

Polar Surface Area:
153.42

HBA:
9

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.29

DETAILS

ALA3220914

Name:
(E)-3-(3-nitrothiophen-2-yl)-N-(4-(N-(3-(prop-2-yn-1-yloxy)pyrazin-2-yl)sulShow More⌵

Mol. Formula:
C20H15N5O6S2

M.W.:
485.50

2 activity values

Type:
Small molecule

AlogP:
2.91

Polar Surface Area:
153.42

HBA:
9

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.20

DETAILS

ALA3220911

Name:
(E)-3-(5-bromothiophen-2-yl)-N-(4-(N-(3-methoxypyrazin-2-yl)sulfamoyl)phenyShow More⌵

Mol. Formula:
C18H15BrN4O4S2

M.W.:
495.38

2 activity values

Type:
Small molecule

AlogP:
3.76

Polar Surface Area:
110.28

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

Nonyl β-D-maltoside

Name:
Nonyl-maltoside

Mol. Formula:
C21H40O11

M.W.:
468.54